N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-morpholin-4-ylsulfonylbenzamide

C17H18N4O4S2 — CID 55531398

IUPACN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NCc1cn2ccsc2n1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H18N4O4S2/c22-16(18-11-14-12-20-6-9-26-17(20)19-14)13-2-1-3-15(10-13)27(23,24)21-4-7-25-8-5-21/h1-3,6,9-10,12H,4-5,7-8,11H2,(H,18,22)
InChIKeyINQRJZKKVVQARQ-UHFFFAOYSA-N
MW406.49 g/mol
LogP1.35
Rot. Bonds5

About N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-morpholin-4-ylsulfonylbenzamide

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 55531398) has the molecular formula C17H18N4O4S2 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID55531398
Molecular FormulaC17H18N4O4S2
Molecular Weight406.49 g/mol
Exact Mass406.08
IUPAC NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NCc1cn2ccsc2n1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H18N4O4S2/c22-16(18-11-14-12-20-6-9-26-17(20)19-14)13-2-1-3-15(10-13)27(23,24)21-4-7-25-8-5-21/h1-3,6,9-10,12H,4-5,7-8,11H2,(H,18,22)
InChIKeyINQRJZKKVVQARQ-UHFFFAOYSA-N
XLogP1.35
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide
CID 3887000
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylsulfonylbenzamide
CID 134027697
3-morpholin-4-ylsulfonyl-N-(pyrimidin-4-ylmethyl)benzamide
CID 77097656
3-morpholin-4-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide
CID 27770200
3-morpholin-4-ylsulfonyl-N-(naphthalen-2-ylmethyl)benzamide
CID 94042950
N-[(5-bromothiophen-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide
CID 32775606
2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
CID 24691198
3-morpholin-4-ylsulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 50944620
3-morpholin-4-ylsulfonyl-N-prop-2-enylbenzamide
CID 2711286
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 3660815
3-morpholin-4-ylsulfonyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 99258291
N-[2-(dimethylamino)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 50945849

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-morpholin-4-ylsulfonylbenzamide (CID 55531398) is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-morpholin-4-ylsulfonylbenzamide is O=C(NCc1cn2ccsc2n1)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is INQRJZKKVVQARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4S2/c22-16(18-11-14-12-20-6-9-26-17(20)19-14)13-2-1-3-15(10-13)27(23,24)21-4-7-25-8-5-21/h1-3,6,9-10,12H,4-5,7-8,11H2,(H,18,22).
What are the key properties of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-morpholin-4-ylsulfonylbenzamide?
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 406.49 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 55531398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).